(2S)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
| Internal ID | ac244270-8c39-4073-8113-22c9ba0a38bc |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones |
| IUPAC Name | (2S)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C(C2=C(C(=C1OC)CC=C(C)C)OC(CC2=O)C3=CC(=C(C=C3)O)OC)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C2=C(C(=C1OC)CC=C(C)C)O[C@@H](CC2=O)C3=CC(=C(C=C3)O)OC)O)C |
| InChI | InChI=1S/C27H32O6/c1-15(2)7-10-18-25(30)24-21(29)14-22(17-9-12-20(28)23(13-17)31-5)33-27(24)19(26(18)32-6)11-8-16(3)4/h7-9,12-13,22,28,30H,10-11,14H2,1-6H3/t22-/m0/s1 |
| InChI Key | RIILZRHMYBTZEI-QFIPXVFZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H32O6 |
| Molecular Weight | 452.50 g/mol |
| Exact Mass | 452.21988874 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 6.50 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.71% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.71% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.21% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.30% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.14% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.90% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.74% | 86.33% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 89.45% | 98.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.10% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.89% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.17% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.67% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.11% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.65% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.50% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.54% | 92.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.39% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.68% | 98.75% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Amorpha fruticosa |
| PubChem | 162988094 |
| LOTUS | LTS0057005 |
| wikiData | Q105236888 |